N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide

C13H22N2O3S — CID 102995327

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C13H22N2O3S/c1-4-15(10-6-9-14(2)3)19(17,18)13-8-5-7-12(16)11-13/h5,7-8,11,16H,4,6,9-10H2,1-3H3
InChIKeyCMTBQAADBVJYJC-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.35
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide

N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide (PubChem CID 102995327) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
PubChem CID102995327
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C13H22N2O3S/c1-4-15(10-6-9-14(2)3)19(17,18)13-8-5-7-12(16)11-13/h5,7-8,11,16H,4,6,9-10H2,1-3H3
InChIKeyCMTBQAADBVJYJC-UHFFFAOYSA-N
XLogP1.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258786
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide
CID 82939428
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107481602
3-chloro-4-cyano-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102993327
N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide
CID 102996705
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide (CID 102995327) is N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide?
The InChIKey is CMTBQAADBVJYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-15(10-6-9-14(2)3)19(17,18)13-8-5-7-12(16)11-13/h5,7-8,11,16H,4,6,9-10H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide?
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 102995327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).